Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation studySARS-COV-2 주 프로테아제를위한 용도로 인한 약물로서 HIV-1 프로테아제 억제제-임상 시험 약물의 가능성 : 분자 도킹, 분자 역학 및 결합 자유 에너지 시뮬레이션 연구Article Published on 2021-09-012022-08-31 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2020.1786459 PMC 바로가기 [Article Type] Article
GC-MS, LC-MS/MS, Docking and Molecular Dynamics Approaches to Identify Potential SARS-CoV-2 3-Chymotrypsin-Like Protease Inhibitors from Zingiber officinale RoscoeGC-MS, LC-MS/MS, 도킹 및 분자 역학 접근법은 Zingiber Officinale Roscoe로부터 잠재적 인 SARS-COV-2 3- chymotrypsin- 유사 프로테아제 억제제를 식별하기위한 접근법.Article Published on 2021-08-282022-08-31 Journal: Molecules [Category] [DOI] 10.3390/molecules26175230 PMC 바로가기 [Article Type] Article
N501Y mutation of spike protein in SARS-CoV-2 strengthens its binding to receptor ACE2Research Article Published on 2021-08-202022-10-31 Journal: eLife [Category] [DOI] 10.7554/eLife.69091 PMC 바로가기 [Article Type] Research Article
Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation도킹 및 분자 역학 시뮬레이션을 사용하여 COVID-19의 확산을 방지하기 위해 새로운 코로나 바이러스의 주요 프로테아제의 유망한 억제제Article Published on 2021-08-012022-08-31 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2020.1779131 PMC 바로가기 [Article Type] Article
Drug repurposing against SARS-CoV-2 receptor binding domain using ensemble-based virtual screening and molecular dynamics simulationsResearch article Published on 2021-08-012022-10-05 Journal: Computers in biology and medicine [Category] [DOI] 10.1016/j.compbiomed.2021.104634 [Article Type] Research article
Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19COVID-19에 대한 항바이러스 억제제 식별을 위한 SARS-CoV-2 Guanine-N7 methyltransferase(nsp14)의 구조 기반 가상 스크리닝 및 분자 역학 시뮬레이션Article Published on 2021-08-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2020.1778535 PMC 바로가기 [Article Type] Article
Dynamics of the SARS-CoV-2 nucleoprotein N-terminal domain triggers RNA duplex destabilizationSARS-CoV-2 핵단백질 N-말단 도메인의 역학은 RNA 이중체 불안정화를 유발합니다Article Published on 2021-07-202022-09-11 Journal: Biophysical Journal [Category] [DOI] 10.1016/j.bpj.2021.06.003 PMC 바로가기 [Article Type] Article
Blue Biotechnology: Computational Screening of Sarcophyton Cembranoid Diterpenes for SARS-CoV-2 Main Protease InhibitionBlue Biotechnology: SARS-CoV-2 주요 프로테아제 억제를 위한 Sarcophyton Cembranoid Diterpenes의 컴퓨터 스크리닝Comparative Study Published on 2021-07-132022-09-10 Journal: Marine Drugs [Category] [DOI] 10.3390/md19070391 PMC 바로가기 [Article Type] Comparative Study
Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening분자 모델링 및 가상 스크리닝으로부터 SARS-COV-2 S- 단백질의 억제제로 승인 된 약물을 재구성Article Published on 2021-07-012022-08-31 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2020.1772885 PMC 바로가기 [Article Type] Article
Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19Article Published on 2021-06-302022-10-29 Journal: International Journal of Molecular Sciences [Category] [DOI] 10.3390/ijms22137071 PMC 바로가기 [Article Type] Article